Nickel tetracarbonyl
- Formula: C4NiO4
- Molecular weight: 170.7338
- IUPAC Standard InChI: InChI=1S/4CO.Ni/c4*1-2;
- IUPAC Standard InChIKey: AWDHUGLHGCVIEG-UHFFFAOYSA-N
- CAS Registry Number: 13463-39-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Nickel carbonyl (Ni(CO)4); Nickel carbonyl (Ni(CO)4), (T-4)-; Nickel carbonyl; Tetracarbonyl nickel; Ni(CO)4; Nickel carbonyle; Nichel tetracarbonile; Nikkeltetracarbonyl; Nickel tetracarbonyle; Rcra waste number P073; UN 1259
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Gas phase thermochemistry data
Go To: Top, Phase change data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
MS - José A. Martinho Simões
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -143.78 | kcal/mol | Review | Chase, 1998 | Data last reviewed in March, 1978 |
| ΔfH°gas | -142.2 ± 1.0 | kcal/mol | Review | Martinho Simões | MS |
| ΔfH°gas | -144.8 ± 1.1 | kcal/mol | Review | Martinho Simões | MS |
| ΔfH°gas | -144.0 ± 0.62 | kcal/mol | Review | Martinho Simões | MS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 99.314 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in March, 1978 |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 700. to 1500. | 1500. to 6000. |
|---|---|---|
| A | 33.98279 | 48.43760 |
| B | 17.48360 | 0.675459 |
| C | -7.026231 | -0.108995 |
| D | 0.884686 | 0.007077 |
| E | -0.258372 | -4.396511 |
| F | -155.4940 | -167.6980 |
| G | 134.0780 | 145.7150 |
| H | -143.7800 | -143.7800 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in March, 1978 | Data last reviewed in March, 1978 |
Phase change data
Go To: Top, Gas phase thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
MS - José A. Martinho Simões
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔvapH° | 6.60 ± 0.31 | kcal/mol | CC-SB | Kipnis, 1962 | MS |
| ΔvapH° | 6.50 | kcal/mol | N/A | Spice, Staveley, et al., 1955 | AC |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 7.12 | 344. | Baev, 1970 | Based on data from 277. to 412. K.; AC |
| 7.05 | 265. | Stull, 1947 | Based on data from 250. to 315. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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| Temperature (K) | A | B | C | Reference | Comment |
|---|---|---|---|---|---|
| 250. to 315.7 | 4.63164 | 1409.037 | -11.637 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Martinho Simões
Martinho Simões, J.A.,
Private communication (see http://webbook.nist.gov/chemistry/om/). [all data]
Kipnis, 1962
Kipnis, A.Ya.,
Zh. Neorg. Khim., 1962, 7, 1500. [all data]
Spice, Staveley, et al., 1955
Spice, J.E.; Staveley, L.A.K.; Harrow, G.A.,
The heat capacity of nickel carbonyl and the thermodynamics of its formation from nickel and carbon monoxide,
J. Chem. Soc., 1955, 100, https://doi.org/10.1039/jr9550000100
. [all data]
Baev, 1970
Baev, A.K.,
Obshch. Prikl. Khim., 1970, 2, 146. [all data]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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